SCHEMBL18158043

SCHEMBL18158043

Nc1cccc(CNC(Cc2ccccn2)c2ccccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
APP P05067 1/20 0.36
BACE1 P56817 1/20 0.36
FDPS P14324 1/20 0.35
PTPRA P18433 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18157990 0.90 MAOA (0.43) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL18158081 0.85 GRIN2D (0.37) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL18158092 0.85 HRH1 (0.49) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL18157994 0.84 CXCR4 (0.44) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL18157938 0.84 FDPS (0.38) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL18158095 0.80 PTPRA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18157950 0.79 FABP1 (0.49) APPSMN1; SMN2L3MBTL1TRPV3
SCHEMBL58388 0.76 HRH1 (0.46) MAOAMAOBGRIN2DGRIN3BGRIN1
SCHEMBL19214780 0.75 MAOA (0.54) MAOAMAOBNOS3NOS1NOS2
SCHEMBL18158024 0.75 KDM4E (0.38) APPPTPRASMN1; SMN2MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 MAOA 2578/4885MAOB 3497/4885GRIN2D 3742/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.